N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide

C12H24N2O2 — CID 174342776

IUPACN,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide
SMILESCC(C(=O)N(C)C(C)C)C(=O)N(C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)13(6)11(15)10(5)12(16)14(7)9(3)4/h8-10H,1-7H3
InChIKeyCTKYAUZCRLOXCM-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.36
Rot. Bonds4

About N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide

N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide (PubChem CID 174342776) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide.

Molecular Properties

Compound NameN,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide
PubChem CID174342776
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide
SMILESCC(C(=O)N(C)C(C)C)C(=O)N(C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)13(6)11(15)10(5)12(16)14(7)9(3)4/h8-10H,1-7H3
InChIKeyCTKYAUZCRLOXCM-UHFFFAOYSA-N
XLogP1.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
CID 59641758
2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 103495830
methyl(propan-2-yl)carbamothioic S-acid
CID 21387845
N-methyl-N-propan-2-ylcarbamoyl bromide
CID 115193360
2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide
CID 115186413
S-methyl N-methyl-N-propan-2-ylcarbamothioate
CID 139377441
benzene;methyl(propan-2-yl)carbamic acid
CID 174351923
N,2-dimethyl-N-propan-2-ylpropanamide;N,2,3-trimethyl-N-propan-2-ylbutan-2-amine
CID 159310191
1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea
CID 166800460
N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide
CID 115188783
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730
2-[methyl(propan-2-yl)amino]prop-2-enoic acid
CID 174803803

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide?
The IUPAC name of N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide (CID 174342776) is N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide.
What is the SMILES notation for N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide?
The canonical SMILES for N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide is CC(C(=O)N(C)C(C)C)C(=O)N(C)C(C)C.
What is the InChIKey of N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide?
The InChIKey is CTKYAUZCRLOXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)13(6)11(15)10(5)12(16)14(7)9(3)4/h8-10H,1-7H3.
What are the key properties of N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide?
N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide has a molecular weight of 228.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide is sourced from PubChem (CID 174342776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).